dihydroxy(oxo)phosphanium;N-phenylaniline

C12H13NO3P+ — CID 174642571

IUPACdihydroxy(oxo)phosphanium;N-phenylaniline
SMILESO=[P+](O)O.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.HO3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3/h1-10,13H;(H-,1,2,3)/p+1
InChIKeyADMNOLPXIMXLAA-UHFFFAOYSA-O
MW250.21 g/mol
LogP3.06
Rot. Bonds2

About dihydroxy(oxo)phosphanium;N-phenylaniline

dihydroxy(oxo)phosphanium;N-phenylaniline (PubChem CID 174642571) has the molecular formula C12H13NO3P+ and a molecular weight of 250.21 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;N-phenylaniline.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;N-phenylaniline
PubChem CID174642571
Molecular FormulaC12H13NO3P+
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Namedihydroxy(oxo)phosphanium;N-phenylaniline
SMILESO=[P+](O)O.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.HO3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3/h1-10,13H;(H-,1,2,3)/p+1
InChIKeyADMNOLPXIMXLAA-UHFFFAOYSA-O
XLogP3.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dihydroxy(oxo)phosphanium;N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;N-phenylaniline
CID 67074378
N-phenylaniline;sulfuric acid
CID 11486
hydrazine;N-phenylaniline
CID 159755629
1,1-difluoroethene;N-phenylaniline
CID 175173437
bis(N-phenylaniline);1,2,2-triphenylethenylbenzene
CID 159300087
tris(N-phenylaniline);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175486042
N-phenylaniline;prop-2-enoic acid
CID 160759599
CID 175904297
CID 175904297
dibismuth;N-phenylaniline;trisulfate
CID 174856272
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
aniline;N-phenylaniline;phosphoric acid
CID 66746384
sodium;dimethylazanide;N-phenylaniline
CID 87793775

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;N-phenylaniline?
The IUPAC name of dihydroxy(oxo)phosphanium;N-phenylaniline (CID 174642571) is dihydroxy(oxo)phosphanium;N-phenylaniline.
What is the SMILES notation for dihydroxy(oxo)phosphanium;N-phenylaniline?
The canonical SMILES for dihydroxy(oxo)phosphanium;N-phenylaniline is O=[P+](O)O.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of dihydroxy(oxo)phosphanium;N-phenylaniline?
The InChIKey is ADMNOLPXIMXLAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11N.HO3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3/h1-10,13H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;N-phenylaniline?
dihydroxy(oxo)phosphanium;N-phenylaniline has a molecular weight of 250.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;N-phenylaniline is sourced from PubChem (CID 174642571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).